KEGG   DRUG: Pentobarbital
Entry
D00499                      Drug                                   

Name
Pentobarbital (USP/INN);
Nembutal (TN)
Formula
C11H18N2O3
Exact mass
226.1317
Mol weight
226.2722
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
Remark
Same as: C07422
ATC code: N05CA01
Chemical structure group: DG00915
Product (DG00915): D00500<US> D02253<JP>
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA01 Pentobarbital
      D00499  Pentobarbital (USP/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00499  Pentobarbital (USP/INN)
Other DBs
CAS: 76-74-4
PubChem: 7847565
ChEBI: 7983
ChEMBL: CHEMBL448
DrugBank: DB00312
LigandBox: D00499
NIKKAJI: J4.552G
LinkDB
KCF data

ATOM        16
            1   C1z C    24.3484  -19.3667
            2   C5x C    23.1527  -18.6842
            3   C5x C    24.3484  -20.7840
            4   C1c C    25.7366  -19.3608
            5   C1b C    24.3367  -17.9610
            6   N1x N    21.9277  -19.3667
            7   O5x O    23.1527  -17.2902
            8   N1x N    23.1527  -21.4840
            9   O5x O    25.5616  -21.4840
            10  C1b C    26.4307  -18.1476
            11  C1a C    26.4424  -20.5741
            12  C1a C    25.5442  -17.2435
            13  C5x C    21.9277  -20.7840
            14  C1b C    27.8247  -18.1476
            15  O5x O    20.7086  -21.4840
            16  C1a C    28.5246  -16.9402
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   13  15 2
            15   14  16 1
            16    8  13 1

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KEGG   DRUG: Pentobarbital sodium
Entry
D00500                      Drug                                   

Name
Pentobarbital sodium (JAN/USP);
Nembutal sodium (TN)
Product
  Generic
Formula
C11H17N2O3. Na
Exact mass
248.1137
Mol weight
248.254
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
Remark
Same as: C07423
ATC code: N05CA01
Chemical structure group: DG00915
Product (DG00915): D00500<US> D02253<JP>
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA01 Pentobarbital
      D00500  Pentobarbital sodium (JAN/USP) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D00500  Pentobarbital sodium (JAN/USP) <US>
Other DBs
CAS: 57-33-0
PubChem: 7847566
ChEBI: 7984
ChEMBL: CHEMBL971
DrugBank: DB00312
LigandBox: D00500
NIKKAJI: J378.224G
LinkDB
KCF data

ATOM        17
            1   C1z C    25.3223  -19.3084
            2   C5x C    25.3223  -20.7244
            3   C5x C    24.1279  -18.6267
            4   C1c C    26.7150  -19.3026
            5   C1b C    25.3107  -17.8983
            6   N1x N    24.1279  -21.4234
            7   O5x O    26.5401  -21.4234
            8   N2x N    22.9043  -19.3084
            9   O5x O    24.1279  -17.2283
            10  C1b C    27.4026  -18.0906
            11  C1a C    27.4141  -20.5145
            12  C1a C    26.5227  -17.1874
            13  C2y C    22.9043  -20.7244
            14  C1b C    28.7951  -18.0906
            15  O1a O    21.6865  -21.4234 #-
            16  C1a C    29.4943  -16.8787
            17  Z   Na   19.6762  -21.4876 #+
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13   10  14 1
            14   13  15 1
            15   14  16 1
            16    8  13 2

» Japanese version   » Back

KEGG   DRUG: Pentobarbital calcium
Entry
D02253                      Drug                                   

Name
Pentobarbital calcium (JP18);
Ravona (TN)
Formula
(C11H17N2O3)2. Ca
Exact mass
490.2104
Mol weight
490.6066
Structure
Class
Neuropsychiatric agent
 DG01837  Barbiturate sedative-hypnotics
 DG01567  GABA-A receptor agonist
Remark
Therapeutic category: 1125
ATC code: N05CA01
Chemical structure group: DG00915
Product (DG00915): D00500<US> D02253<JP>
Efficacy
Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CA Barbiturates, plain
     N05CA01 Pentobarbital
      D02253  Pentobarbital calcium (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   112  Hypnotics and sedatives, anxiolytics
    1125  Barbiturates and thiobarbiturates
     D02253  Pentobarbital calcium (JP18)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D02253  Pentobarbital calcium (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02253  Pentobarbital calcium
  D02253  Pentobarbital calcium tablets
Other DBs
PubChem: 7849312
DrugBank: DB00312
LigandBox: D02253
LinkDB
KCF data

ATOM        33
            1   C1z C    24.7724  -19.2210
            2   C5x C    24.7724  -20.6370
            3   C5x C    23.5779  -18.5394
            4   C1c C    26.1651  -19.2153
            5   C1b C    24.7607  -17.8109
            6   N1x N    23.5779  -21.3361
            7   O5x O    25.9902  -21.3361
            8   N2x N    22.3544  -19.2210
            9   O5x O    23.5779  -17.1409
            10  C1b C    26.8526  -18.0032
            11  C1a C    26.8641  -20.4272
            12  C1a C    25.9728  -17.1001
            13  C2y C    22.3544  -20.6370
            14  C1b C    28.2451  -18.0032
            15  O1a O    21.1366  -21.3361 #-
            16  C1a C    28.9444  -16.7913
            17  Z   Ca   17.9293  -21.4003 #2+
            18  C1z C    24.7724  -19.2210
            19  C5x C    24.7724  -20.6370
            20  N1x N    23.5779  -21.3361
            21  C2y C    22.3544  -20.6370
            22  N2x N    22.3544  -19.2210
            23  C5x C    23.5779  -18.5394
            24  O5x O    23.5779  -17.1409
            25  O1a O    21.1366  -21.3361 #-
            26  O5x O    25.9902  -21.3361
            27  C1c C    26.1651  -19.2153
            28  C1b C    26.8526  -18.0032
            29  C1b C    28.2451  -18.0032
            30  C1a C    28.9444  -16.7913
            31  C1a C    26.8641  -20.4272
            32  C1b C    24.7607  -17.8109
            33  C1a C    25.9728  -17.1001
BOND        32
            1    14  16 1
            2     8  13 2
            3     1   2 1
            4     1   3 1
            5     1   4 1
            6     1   5 1
            7     2   6 1
            8     2   7 2
            9     3   8 1
            10    3   9 2
            11    4  10 1
            12    4  11 1
            13    5  12 1
            14    6  13 1
            15   10  14 1
            16   13  15 1
            17   29  30 1
            18   22  21 2
            19   18  19 1
            20   18  23 1
            21   18  27 1
            22   18  32 1
            23   19  20 1
            24   19  26 2
            25   23  22 1
            26   23  24 2
            27   27  28 1
            28   27  31 1
            29   32  33 1
            30   20  21 1
            31   28  29 1
            32   21  25 1
BRACKET     1    20.3000  -22.4000   20.3000  -16.0300
            1    30.5200  -16.0300   30.5200  -22.4000
            1  2
 ORIGINAL  1    1   2   6  13   8   3   9  15   7   4  10  14  16  11   5  12
 REPEAT    1   18  19  20  21  22  23  24  25  26  27  28  29  30  31  32  33

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